SCHEMBL13634679

SCHEMBL13634679

COc1cc(C(=O)O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
CHEK1 O14757 1/20 0.43
PDE4D Q08499 2/20 0.42
SCD O00767 1/20 0.42
HPGD P15428 1/20 0.41
GPR6 P46095 4/20 0.40
P4HTM Q9NXG6 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC5A7 Q9GZV3 2/20 0.39
CYP1A2 P05177 1/20 0.39
PYGL P06737 1/20 0.39
DNM1L O00429 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13634606 0.93 IRAK4 (0.43) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634609 0.91 GPR6 (0.41) CHEK1SCDGPR6DNM1L
SCHEMBL2772305 0.90 SCD (0.45) SCDHPGDGPR6LMNAPYGL
SCHEMBL2770451 0.90 GPR6 (0.43) CHEK1SCDGPR6DNM1L
SCHEMBL13634619 0.90 SCN9A (0.43) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634849 0.89 GPR6 (0.41) CHEK1SCDGPR6DNM1L
SCHEMBL13634703 0.89 PDE4D (0.42) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634648 0.89 MAP3K7 (0.51) IRAK4CHEK1GPR6
SCHEMBL13634621 0.88 GPR6 (0.39) CHEK1SCDGPR6DNM1L
SCHEMBL13634680 0.87 POLB (0.42) IRAK4CHEK1PDE4DSCDHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed